N-cycloheptylpyrimidin-2-amine

C11H17N3 — CID 868191

IUPACN-cycloheptylpyrimidin-2-amine
SMILESc1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C11H17N3/c1-2-4-7-10(6-3-1)14-11-12-8-5-9-13-11/h5,8-10H,1-4,6-7H2,(H,12,13,14)
InChIKeyDYFJUGGWBNHTMD-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.61
Rot. Bonds2

About N-cycloheptylpyrimidin-2-amine

N-cycloheptylpyrimidin-2-amine (PubChem CID 868191) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-cycloheptylpyrimidin-2-amine.

Molecular Properties

Compound NameN-cycloheptylpyrimidin-2-amine
PubChem CID868191
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-cycloheptylpyrimidin-2-amine
SMILESc1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C11H17N3/c1-2-4-7-10(6-3-1)14-11-12-8-5-9-13-11/h5,8-10H,1-4,6-7H2,(H,12,13,14)
InChIKeyDYFJUGGWBNHTMD-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptylpyrimidin-2-amine?
The IUPAC name of N-cycloheptylpyrimidin-2-amine (CID 868191) is N-cycloheptylpyrimidin-2-amine.
What is the SMILES notation for N-cycloheptylpyrimidin-2-amine?
The canonical SMILES for N-cycloheptylpyrimidin-2-amine is c1cnc(NC2CCCCCC2)nc1.
What is the InChIKey of N-cycloheptylpyrimidin-2-amine?
The InChIKey is DYFJUGGWBNHTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-4-7-10(6-3-1)14-11-12-8-5-9-13-11/h5,8-10H,1-4,6-7H2,(H,12,13,14).
What are the key properties of N-cycloheptylpyrimidin-2-amine?
N-cycloheptylpyrimidin-2-amine has a molecular weight of 191.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptylpyrimidin-2-amine is sourced from PubChem (CID 868191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).